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Chemical ID: 7021060

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc(cc3C)Cl

Chemical ID:

7021060

Name [?]:

[4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]aminoiminomethyl]-2-ethoxy-phenyl] benzoate

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc(cc3C)Cl

InChi [?]:

InChI=1/C25H23ClN2O5/c1-3-31-23-14-18(9-11-22(23)33-25(30)19-7-5-4-6-8-19)15-27-28-24(29)16-32-21-12-10-20(26)13-17(21)2/h4-15H,3,16H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,32,2,16,15,17,14,18,7,28,8,27,30,5,19,24,31,6,13,29,26,9,4,22,11,33,20,21,23,12,3,25,10/E:(5,6)(7,8)/rA:33nCCOCCCCCCOCOCCCCCCCNNCOCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃ClN₂O₅
All Atoms:	56
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9991
Area:	749.874
Solvation:	-7.74771
Coulombic:	-54.2566

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	466.913
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.1
LogP (Chemaxon):	5.32

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value